SCHEMBL1883787

SCHEMBL1883787

C=CCC(C=O)CCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 2/20 0.37
FAAH O00519 1/20 0.32
CTSK P43235 3/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
CYP3A4 P08684 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 1/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31
PLA2G2C Q5R387 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2357535 0.94 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1FAAHADH1B
SCHEMBL9516420 0.92 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1FAAHADH1B
SCHEMBL1399295 0.86
SCHEMBL28275056 0.82 TSHR (0.67) TSHRSMN1; SMN2ALDH1A1FAAHCTSK
SCHEMBL3638966 0.82 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1FAAHDNM1
SCHEMBL348615 0.81 TSHR (0.80) TSHRSMN1; SMN2ALDH1A1CTSKADH1B
SCHEMBL3124342 0.81 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1FAAHCTSK
SCHEMBL3111722 0.81 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1FAAHCTSK
SCHEMBL3116682 0.79 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1FAAHADH1B
SCHEMBL617765 0.78 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1DNM1PLA2G2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558578-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP claimed
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO claimed
EP-1098699-B1 PRODUCTION OF GLYCOL MONOESTER EASTMAN CHEM CO (US) 2003-05-14 EP claimed
JP-2002519274-A 2002-07-02 JP claimed
EP-1098699-A1 BASIC CLAY CATALYST FOR THE PRODUCTION OF GLYCOL MONOESTER EASTMAN CHEMICAL COMPANY (US) 2001-05-16 EP claimed
US-6215020-B1 COMPRISING HEATING IN A REACTION VESSEL AN ALDEHYDE AND A CATALYTIC AMOUNT OF A BASE-MODIFIED CLAY, TO PRODUCE A GLYCOL MONOESTER EASTMAN CHEMICAL COMPANY 2001-04-10 US claimed
WO-2000000282-A1 BASIC CLAY CATALYST FOR THE PRODUCTION OF GLYCOL MONOESTER EASTMAN CHEMICAL COMPANY (US) 2000-01-06 WO claimed
WO-2000000456-A1 PREPARATION OF AN ALDOL USING A BASE-MODIFIED CLAY CATALYST EASTMAN CHEMICAL COMPANY (US) 2000-01-06 WO claimed
EP-3398974-A1 WATER ABSORBING RESIN PARTICLES, METHOD FOR MANUFACTURING WATER ABSORBING RESIN PARTICLES, ABSORPTION BODY, ABSORPTIVE ARTICLE, AND WATER-SEALING MATERIAL Sumitomo Seika Chemicals CO. LTD. (JP) 2018-11-07 EP disclosed
CN-108495837-A It is effectively synthesized methacrolein and other α, beta-unsaturated aldehyde by first alcohols and aldehydes 伊士曼化工公司 2018-09-04 CN disclosed
CN-108495835-A efficient synthesis of methacrolein and other α, beta-unsaturated aldehydes over renewable anatase titanium dioxide catalysts 伊士曼化工公司 2018-09-04 CN disclosed
EP-3023443-B1 WATER ABSORBING RESIN PARTICLES, METHOD FOR MANUFACTURING WATER ABSORBING RESIN PARTICLES, ABSORPTION BODY, ABSORPTIVE ARTICLE, AND WATER-SEALING MATERIAL SUMITOMO SEIKA CHEMICALS (JP) 2018-07-25 EP disclosed
EP-3023442-B1 WATER ABSORBING RESIN PARTICLES, METHOD FOR MANUFACTURING WATER ABSORBING RESIN PARTICLES, ABSORPTION BODY, ABSORPTIVE ARTICLE, AND WATER-SEALING MATERIAL SUMITOMO SEIKA CHEMICALS (JP) 2017-11-22 EP disclosed
EP-3009458-B1 WATER ABSORBING RESIN PARTICLES, METHOD FOR MANUFACTURING WATER ABSORBING RESIN PARTICLES, ABSORPTION BODY, ABSORPTIVE ARTICLE, AND WATER-SEALING MATERIAL SUMITOMO SEIKA CHEMICALS (JP) 2017-11-22 EP disclosed
WO-2000000282-A1 BASIC CLAY CATALYST FOR THE PRODUCTION OF GLYCOL MONOESTER EASTMAN CHEMICAL COMPANY (US) 2000-01-06 WO disclosed
WO-2000000456-A1 PREPARATION OF AN ALDOL USING A BASE-MODIFIED CLAY CATALYST EASTMAN CHEMICAL COMPANY (US) 2000-01-06 WO disclosed
CN-1033419-C Formulation of organophosphorus pesticide water emulsion INST OF PLANT PROTECTION CHINE (CN) 1996-12-04 CN disclosed
EP-0301112-B1 METHOD FOR PRODUCING A 5-BROMO-1-PENTANAL COMPOUND OR AN ACETAL DERIVATIVE THEREOF Kawaken Fine Chemicals Co., Ltd. (JP) 1992-05-06 EP disclosed
EP-0301112-A1 Method for producing a 5-bromo-1-pentanal compound or an acetal derivative thereof Kawaken Fine Chemicals Co., Ltd. (JP) 1989-02-01 EP disclosed
US-4760195-A Free-radical addition reaction KAWAKEN FINE CHEMICALS CO., LTD. (JP) 1988-07-26 US disclosed